332 results match your criteria induce evaporation


Dual Inorganic Sacrificial Template Synthesis of Hierarchically Porous Carbon with Specific N Sites for Efficient Oxygen Reduction.

ACS Appl Mater Interfaces 2021 Jun 11. Epub 2021 Jun 11.

School of Chemistry and Chemical Engineering, Central South University, Changsha 410083, Hunan, China.

It is still a challenge to achieve efficiently controlled preparation of functional oxygen reduction reaction (ORR) carbon electrocatalysts with multi-preferred structures (hierarchically porous networks and specific carbon-nitrogen bonds) from carbohydrate-containing small molecules via simple one-step pyrolysis. Based on the step-by-step spontaneous gas-foaming strategy, we successfully prepare 3D hierarchically porous networks with tunable N sites (N/N ≈ 1:1) by pyrolyzing diverse carbohydrates (glucose, maltose, and cyclodextrin) using nonmetal-metal dual inorganic sacrificial templates. In situ evaporation templates can simplify the procedure of the experiments and avoid the active site loss compared with traditional hard templates. Read More

View Article and Full-Text PDF

Surface Patterning of Two-Dimensional Nanostructure-Embedded Photothermal Hydrogels for High-Yield Solar Steam Generation.

ACS Nano 2021 Jun 10. Epub 2021 Jun 10.

Jiangsu Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, College of Science, Nanjing Forestry University, Nanjing 210037, China.

Improving evaporation rate is extremely important to promote the application of solar steam generation in clean water production through seawater desalination. However, the theoretical evaporation rate limit of a normal two-dimensional (2D) photothermal evaporator is only about 1.46 kg m h. Read More

View Article and Full-Text PDF

Light-Fueled Beating Coffee-Ring Deposition for Droplet Evaporative Crystallization.

Anal Chem 2021 Jun 10. Epub 2021 Jun 10.

Key Laboratory of Low-grade Energy Utilization Technologies and Systems, Chongqing University, Ministry of Education, Chongqing 400030, China.

Condensed deposition favors biochemical analysis, bioassays, and clinical diagnosis, but the existing strategies may suffer from low resolution, inaccurate control, cross-contamination, or miscellaneous apparatus. Herein, we propose a noncontact light strategy to enable the condensed deposition for droplet evaporative crystallization, in which the photothermal effect of a focused infrared laser is employed to induce intense evaporation. Due to the localized heating effect, not only can the droplet evaporative crystallization on the hydrophobic substrate be promoted, but also the resultant intensified Marangoni flow enables the movement of the early-formed crystals, preventing the pinning of the triple-phase contact line. Read More

View Article and Full-Text PDF

Lutein Treatment Effects on the Redox Status and Metalloproteinase-9 (MMP-9) in Oral Cancer Squamous Cells-Are There Therapeutical Hopes?

Materials (Basel) 2021 May 31;14(11). Epub 2021 May 31.

Department of Biochemistry, Faculty of Dental Medicine, University of Medicine and Pharmacy Carol Davila, 8 Eroii Sanitari Blvd., Sector 5, 050474 Bucharest, Romania.

Carotenoids loaded in nanoparticles should be regarded as a promising way to increase the availability in healthy cells and to induce apoptosis in cancer. Lutein is a carotenoid that, in contrast to beta-carotene, has no known toxicities. Oral cancer represents one of the most frequent types of cancer world-wide with an incidence rate of about 9% of all types of cancer. Read More

View Article and Full-Text PDF

Hierarchical Superstructures by Combining Crystallization-Driven and Molecular Self-Assembly.

Angew Chem Int Ed Engl 2021 May 26. Epub 2021 May 26.

Macromolecular Chemistry I, University of Bayreuth and Bavarian Polymer Institute, Universitätsstrasse 30, 95447, Bayreuth, Germany.

Combining the unique corona structure of worm-like patchy micelles immobilized on a polymer fiber with the molecular self-assembly of 1,3,5-benzenetricarboxamides (BTAs) leads to hierarchical superstructures with a fir-tree-like morphology. For this purpose, worm-like patchy micelles bearing pendant, functional tertiary amino groups in one of the corona patches were prepared by crystallization-driven self-assembly and immobilized on a supporting polystyrene fiber by coaxial electrospinning. The obtained patchy fibers were then immersed in an aqueous solution of a tertiary amino-functionalized BTA to induce patch-mediated molecular self-assembly to well-defined fir-tree-like superstructures upon solvent evaporation. Read More

View Article and Full-Text PDF

Hydraulic segmentation does not protect stems from acute water loss during fire.

Tree Physiol 2021 Apr 30. Epub 2021 Apr 30.

Department of Plant and Microbial Biology, North Carolina State University, Raleigh, NC, 27695.

The heat plume associated with fire has been hypothesized to cause sufficient water loss from trees to induce embolism and hydraulic failure. However, it is unclear whether the water transport path remains sufficiently intact during scorching or burning of foliage to sustain high water loss. We measured water uptake by branches of Magnolia grandiflora while exposing them to a range of fire intensities, and examined factors influencing continued water uptake after fire. Read More

View Article and Full-Text PDF

Physically-cross-linked poly(vinyl alcohol) cell culture plate coatings facilitate preservation of cell-cell interactions, spheroid formation, and stemness.

J Biomed Mater Res B Appl Biomater 2021 Apr 13. Epub 2021 Apr 13.

Department of Molecular Biology & Microbiology, Case Western Reserve University, Cleveland, Ohio, USA.

We employed aqueous solutions of highly-hydrolyzed (>99+%) poly(vinyl alcohol), PVA, to coat plastic dishes as a method to efficiently induce three-dimensional (3D) culturing of cells. The coatings were prepared by simple evaporation of 3 wt/vol% solutions of PVA in water and require no additional processing steps after air drying under sterile conditions. The coating allows spheroids to form in solution. Read More

View Article and Full-Text PDF

Bioinspired Hierarchical Nanofabric Electrode for Silicon Hydrovoltaic Device with Record Power Output.

ACS Nano 2021 Apr 9;15(4):7472-7481. Epub 2021 Apr 9.

Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University, Suzhou 215123, China.

Direct electricity generation from water flow/evaporation, coined hydrovoltaic effect, has recently attracted intense interest as a facile approach to harvest green energy from ubiquitous capillary water flow or evaporation. However, the current hydrovoltaic device is inferior in output power efficiency compared to other renewable energy devices. Slow water evaporation rate and inefficient charge collection at device electrodes are two fundamental drawbacks limiting energy output efficiency. Read More

View Article and Full-Text PDF

Evaporation in nano/molecular materials.

Adv Colloid Interface Sci 2021 Apr 23;290:102385. Epub 2021 Feb 23.

Department of Mechanical Engineering, University of Houston, 4726 Calhoun Rd, Houston, TX 77204, USA. Electronic address:

Evaporation is a physical phenomenon with fundamental significance to both nature and technology ranging from plant transpiration to DNA engineering. Various analytical and empirical relationships have been proposed to characterize evaporation kinetics at macroscopic scales. However, theoretical models to describe the kinetics of evaporation from nano and sub-nanometer (molecular) confinements are absent. Read More

View Article and Full-Text PDF

Li-Zn Overlayer to Facilitate Uniform Lithium Deposition for Lithium Metal Batteries.

ACS Appl Mater Interfaces 2021 Mar 16;13(8):9985-9993. Epub 2021 Feb 16.

McKetta Department of Chemical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States.

The highly reactive nature and rough surface of Li foil can lead to the uncontrollable formation of Li dendrites when employed as an anode in a lithium metal battery. Thus, it could be of great practical utility to create uniform, electrochemically stable, and "lithiophilic" surfaces to realize homogeneous deposition of Li. Herein, a LiZn alloy layer is deposited on the surface of Li foil by e-beam evaporation. Read More

View Article and Full-Text PDF

Airborne transmission of pathogen-laden expiratory droplets in open outdoor space.

Sci Total Environ 2021 Jun 4;773:145537. Epub 2021 Feb 4.

School of Atmospheric Sciences, Guangdong Province Key Laboratory for Climate Change and Natural Disaster Studies, Sun Yat-sen University, Zhuhai 519082, China; Southern Marine Science and Engineering Guangdong Laboratory (Zhuhai), Zhuhai, China; Guangdong Provincial Field Observation and Research Station for Climate Environment and Air Quality Change in the Pearl River Estuary, 510275 Guangzhou, China. Electronic address:

Virus-laden droplets dispersion may induce transmissions of respiratory infectious diseases. Existing research mainly focuses on indoor droplet dispersion, but the mechanism of its dispersion and exposure in outdoor environment is unclear. By conducting CFD simulations, this paper investigates the evaporation and transport of solid-liquid droplets in an open outdoor environment. Read More

View Article and Full-Text PDF

High-resolution terahertz-driven atom probe tomography.

Sci Adv 2021 Feb 10;7(7). Epub 2021 Feb 10.

CORIA UMR CNRS 6614, Normandie Université, Université-INSA de Rouen, Avenue de l'Université BP 12, 76801 Saint Etienne du Rouvray, France.

Ultrafast control of matter by a strong electromagnetic field on the atomic scale is essential for future investigations and manipulations of ionization dynamics and excitation in solids. Coupling picosecond duration terahertz pulses to metallic nanostructures allows the generation of extremely localized and intense electric fields. Here, using single-cycle terahertz pulses, we demonstrate control over field ion emission from metallic nanotips. Read More

View Article and Full-Text PDF
February 2021

Development and evaluation of polymeric nanoparticles as a delivery system for snake envenoming prevention.

Biologicals 2021 Apr 6;70:44-52. Epub 2021 Feb 6.

USTHB, Faculty of Biological Sciences, Laboratory of Cellular and Molecular Biology, BP 32 El-Alia, 16111, Bab-Ezzouar, Algiers, Algeria. Electronic address:

Polymer-based nanoparticles have become an appealing carrier for improving vaccine delivery efficiency. In this study, we investigated an interesting approach based on PLGA nanoparticles encapsulating Cerastes cerastes venom as an intranasal vaccine delivery system for snake envenomation prevention. Particles were synthesized by double emulsion solvent evaporation method and characterized for their size, morphology, distribution, and venom-nanoparticles interactions. Read More

View Article and Full-Text PDF

Nanostructured Coating of Non-Crystalline Tantalum Pentoxide on Polyetheretherketone Enhances RBMS Cells/HGE Cells Adhesion.

Int J Nanomedicine 2021 29;16:725-740. Epub 2021 Jan 29.

Department of Joint Surgery, Shanghai East Hospital, School of Medicine, Tongji University, Shanghai 200092, People's Republic of China.

Purpose: As a dental material, polyetheretherketone (PEEK) is bioinert that does not induce cellular response and bone/gingival tissues regeneration. This study was to develop bioactive coating on PEEK and investigate the effects of coating on cellular response.

Materials And Methods: Tantalum pentoxide (TP) coating was fabricated on PEEK surface by vacuum evaporation and responses of rat bone marrow mesenchymal stem (RBMS) cells/human gingival epithelial (HGE) were studied. Read More

View Article and Full-Text PDF
February 2021

3D-printed cryomilled poly(ε-caprolactone)/graphene composite scaffolds for bone tissue regeneration.

J Biomed Mater Res B Appl Biomater 2021 Jul 25;109(7):961-972. Epub 2020 Nov 25.

3Bs Research Group, I3Bs - Research Institute on Biomaterials, Biodegradables and Biomimetics, University of Minho, Headquarters of the European Institute of Excellence on Tissue Engineering and Regenerative Medicine, Guimarães, Portugal.

In this study, composite scaffolds based on poly(caprolactone) (PCL) and non-covalently functionalized few-layer graphene (FLG) were manufactured by an extrusion-based system for the first time. For that, functionalized FLG powder was obtained through the evaporation of a functionalized FLG aqueous suspension prepared from a graphite precursor. Cryomilling was shown to be an efficient mixing method, producing a homogeneous dispersion of FLG particles onto the PCL polymeric matrix. Read More

View Article and Full-Text PDF

Evaporation-Induced Clogging of an Artificial Sweat Duct.

ACS Appl Mater Interfaces 2020 Nov 16;12(47):53403-53408. Epub 2020 Nov 16.

Department of Mechanical Engineering, Virginia Tech, Blacksburg, Virginia 24061, United States.

Metal-based antiperspirants have been in use for centuries; however, there is an increasing consumer demand for a metal-free alternative that works effectively. Here, we develop an artificial sweat duct rig and demonstrate an alternative, metal-free approach to antiperspiration. Instead of clogging sweat ducts with metal salts, we use a hygroscopic material to induce the evaporation of sweat as it approaches the outlet (i. Read More

View Article and Full-Text PDF
November 2020

Innovations in Thermal Processing: Hot-Melt Extrusion and KinetiSol® Dispersing.

AAPS PharmSciTech 2020 Nov 8;21(8):312. Epub 2020 Nov 8.

Pharmaceutics Research Laboratory, Arundel Building, School of Life Sciences, University of Sussex, Brighton, BN1 9QJ, UK.

Thermal processing has gained much interest in the pharmaceutical industry, particularly for the enhancement of solubility, bioavailability, and dissolution of active pharmaceutical ingredients (APIs) with poor aqueous solubility. Formulation scientists have developed various techniques which may include physical and chemical modifications to achieve solubility enhancement. One of the most commonly used methods for solubility enhancement is through the use of amorphous solid dispersions (ASDs). Read More

View Article and Full-Text PDF
November 2020

Versatile and robust synthesis process for the fine control of the chemical composition and core-crystallinity of spherical core-shell [email protected] nanoparticles.

Nanotechnology 2021 Feb;32(9):095604

Sorbonne Université, MONARIS, CNRS-UMR 8233, 4 Place Jussieu, F-75005 Paris, France.

Au nanoparticles (NPs) characterized by distinct surface chemistry (including dodecanethiol or oleylamine as capping agent), different sizes (∼5 and ∼10 nm) and crystallinities (polycrystalline or single crystalline), were chosen as seeds to demonstrate the versatility and robustness of our two-step core-shell [email protected] NP synthesis process. The central component of this strategy is to solubilize the shell precursor (AgNO) in oleylamine and to induce the growth of the shell on selected seeds under heating. The shell thickness is thus controlled by the temperature, the annealing time, the (shell precursor)/(seed) concentration ratio, seed size and crystallinity. Read More

View Article and Full-Text PDF
February 2021

Applying droplets and films in evaporative lithography.

Adv Colloid Interface Sci 2020 Nov 17;285:102271. Epub 2020 Sep 17.

Landau Institute for Theoretical Physics, 142432 Chernogolovka, Russia. Electronic address:

This review covers experimental results of evaporative lithography and analyzes existing mathematical models of this method. Evaporating droplets and films are used in different fields, such as cooling of heated surfaces of electronic devices, diagnostics in health care, creation of transparent conductive coatings on flexible substrates, and surface patterning. A method called evaporative lithography emerged after the connection between the coffee ring effect taking place in drying colloidal droplets and naturally occurring inhomogeneous vapor flux densities from liquid-vapor interfaces was established. Read More

View Article and Full-Text PDF
November 2020

Weather impact on airborne coronavirus survival.

Phys Fluids (1994) 2020 Sep;32(9):093312

University of Nicosia, Nicosia CY-2417, Cyprus.

The contribution of this paper toward understanding of airborne coronavirus survival is twofold: We develop new theoretical correlations for the unsteady evaporation of coronavirus (CoV) contaminated saliva droplets. Furthermore, we implement the new correlations in a three-dimensional multiphase Eulerian-Lagrangian computational fluid dynamics solver to study the effects of weather conditions on airborne virus transmission. The new theory introduces a thermal history kernel and provides transient Nusselt (Nu) and Sherwood (Sh) numbers as a function of the Reynolds (Re), Prandtl (Pr), and Schmidt numbers (Sc). Read More

View Article and Full-Text PDF
September 2020

Simple visualized readout of suppressed coffee ring patterns for rapid and isothermal genetic testing of antibacterial resistance.

Biosens Bioelectron 2020 Nov 29;168:112566. Epub 2020 Aug 29.

Department of Biological Sciences, Korea Advanced Institute of Science and Technology, Daejeon, Republic of Korea; Graduate School of Nanoscience and Technology, Korea Advanced Institute of Science and Technology, Daejeon, Republic of Korea. Electronic address:

We present a facile method based on the coffee ring effect that can rapidly detect antibiotic-resistant bacteria, as an affordable genetic testing platform. When a colloidal solution of particles is dropped onto a substrate surface, an outward capillary flow upon evaporation induces the migration of the particles to the periphery of the droplet, forming a characteristic ring pattern. Herein, we utilize capture DNA microbeads which in the presence of target nucleic acid, form suppressed ring patterns by hybridization-induced crosslinking of the microbeads. Read More

View Article and Full-Text PDF
November 2020

Evolution and Morphology of Thin Films Formed by Solvent Evaporation: An Organic Semiconductor Case Study.

ACS Appl Mater Interfaces 2020 Sep 26;12(36):40548-40557. Epub 2020 Aug 26.

School of Chemistry & Molecular Biosciences, The University of Queensland, St. Lucia Campus, Brisbane 4072, Australia.

The crucial role played by the solution-vapor interface in determining the growth and morphology of an organic semiconductor thin film formed by solvent evaporation has been examined in atomic detail. Specifically, how the loss of individual solvent molecules from the surface of the solution induces solute assembly has been studied using molecular dynamics simulations. The system consisted of (2-phenylpyridine) (acetylacetonate)iridium(III) [Ir(ppy)(acac)] and 4,4'-(-carbazolyl)-1,1'-biphenyl (CBP) in chloroform at 310 K. Read More

View Article and Full-Text PDF
September 2020

Time-Dependent Wetting Scenarios of a Water Droplet on Surface-Energy-Controlled Microcavity Structures with Functional Nanocoatings.

ACS Appl Mater Interfaces 2020 Sep 19;12(35):39881-39891. Epub 2020 Aug 19.

Center for BioMicrosystems, Korea Institute of Science and Technology, Seoul 02792, Republic of Korea.

We report the surface-energy-dependent wetting transition characteristics of an evaporating water droplet on surface-energy-controlled microcavity structures with functional nanocoatings. The droplet wetting scenarios were categorized into four types depending on the synergistic effect of surface energy and pattern size. The silicon (Si) microcavity surfaces ( = 69. Read More

View Article and Full-Text PDF
September 2020

Immune Responses to Varicella-Zoster Virus Glycoprotein E Formulated with Poly(Lactic-co-Glycolic Acid) Nanoparticles and Nucleic Acid Adjuvants in Mice.

Virol Sin 2021 Feb 5;36(1):122-132. Epub 2020 Aug 5.

Institute of Medical Biology, Chinese Academy of Medical Sciences and Peking Union Medical College, Kunming, 650118, China.

The subunit herpes zoster vaccine Shingrix is superior to attenuated vaccine Zostavax in both safety and efficacy, yet its unlyophilizable liposome delivery system and the limited supply of naturally sourced immunological adjuvant QS-21 still need to be improved. Based on poly(lactic-co-glycolic acid) (PLGA) delivery systems that are stable during the lyophilization and rehydration process and using a double-emulsion (w/o/w) solvent evaporation method, we designed a series of nanoparticles with varicella-zoster virus antigen glycoprotein E (VZV-gE) as an antigen and nucleic acids including polyinosinic-polycytidylic acid (Poly I:C) and phosphodiester CpG oligodeoxynucleotide (CpG ODN), encapsulated as immune stimulators. While cationic lipids (DOTAP) have more potential than neutral lipids (DOPC) for activating gE-specific cell-mediated immunity (CMI) in immunized mice, especially when gE is encapsulated in and presented on the surface of nanoparticles, PLGA particles without lipids have the greatest potential to induce not only the highest gE-specific IgG titers but also the strongest gE-specific CMI responses, including the highest proportions of interferon-γ (IFN-γ)- and interleukin-2 (IL-2)-producing CD4+/CD8+ T cells according to a flow cytometry assay and the greatest numbers of IFN-γ- and IL-2-producing splenocytes according to an enzyme-linked immunospot (ELISPOT) assay. Read More

View Article and Full-Text PDF
February 2021

Development of Thymol Microsponges Loaded Gel for the Treatment of Periodontitis.

Curr Drug Deliv 2021 ;18(1):71-87

Department of Pharmaceutics, Dr. D.Y. Patil College of Pharmacy, Akurdi, Pune, 411044 Maharashtra, India.

Objective: Periodontitis is an oral disease categorized by disturbance of periodontal tissue and the creation of periodontal pockets. Thymol (TH) loaded microsponge gelling systems was formulated for local action in the periodontal cavity for the management of periodontitis.

Methods: Solvent evaporation technique was utilized for the preparation of microsponges. Read More

View Article and Full-Text PDF
January 2021

Modified solid lipid nanoparticles encapsulated with Amphotericin B and Paromomycin: an effective oral combination against experimental murine visceral leishmaniasis.

Sci Rep 2020 07 22;10(1):12243. Epub 2020 Jul 22.

Infectious Disease Biology Laboratory, Chemical Biology Unit, Institute of Nano Science and Technology, Habitat Centre, Phase 10, Sector 64, Mohali, Punjab, 160062, India.

The development of an effective oral therapeutics is an immediate need for the control and elimination of visceral leishmaniasis (VL). We exemplify the preparation and optimization of 2-hydroxypropyl-β-cyclodextrin (HPCD) modified solid lipid nanoparticles (SLNs) based oral combinational cargo system of Amphotericin B (AmB) and Paromomycin (PM) against murine VL. The emulsion solvent evaporation method was employed to prepare HPCD modified dual drug-loaded solid lipid nanoparticles (m-DDSLNs). Read More

View Article and Full-Text PDF

Integrated Evaporator for Efficient Solar-Driven Interfacial Steam Generation.

Nano Lett 2020 Aug 22;20(8):6051-6058. Epub 2020 Jul 22.

Department of Chemistry, University of California, Riverside, California 92521, United States.

Solar-driven interfacial steam generation is a promising technique for clean water production because it can minimize thermal loss by localizing solar-to-heat conversion at the air/liquid interface. Here we report an integrated solar evaporator by partially growing 2D polypyrrole microsheets within a melamine foam through chemical vapor polymerization. These microsheets can induce multiple light reflections within the foam, enable omnidirectional light absorption, provide abundant surfaces to promote heat transfer, and achieve spatially defined hydrophobicity to facilitate vapor escape. Read More

View Article and Full-Text PDF

Interstitial fluid-solid interaction within aneurysmal and non-pathological human ascending aortic tissue under translational sinusoidal shear deformation.

Acta Biomater 2020 09 6;113:452-463. Epub 2020 Jul 6.

Department of Mechanical Engineering, University of Maryland, College Park, MD 20742, USA; R. Adams Cowley Shock Trauma Center, University of Maryland School of Medicine, Baltimore, MD, USA.

The interaction shear force between internal interstitial fluid motion and the solid circumferential-longitudinal medial lamellae helps generate the shear stress involved in dissection of human ascending aorta aneurysmal or non-pathologic tissue. Frequency analysis parameters from the total shear stress versus time response to translational 1 Hz sinusoidal shear deformation over 50 cycles measure the interaction with respect to the three factors: tissue type, sinusoidal deformation amplitude and direction of the shear deformation. Significant 1, 3, and 5 Hz components exist in this order of descending magnitude for shear deformation amplitudes of either 25% or 50% of the specimen length. Read More

View Article and Full-Text PDF
September 2020

Morphology, Structure, and Dynamics of Pentacene Thin Films and Their Nanocomposites with [C C im][NTf ] and [C C im][OTF] Ionic Liquids.

Chemphyschem 2020 08 14;21(16):1814-1825. Epub 2020 Jul 14.

CIQUP - Centro de Investigação em Química, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto, Portugal.

In this study, a homogeneous thin film growth of pentacene onto indium tin oxide (ITO) coated glass surfaces is explored using a high-resolution and reproducible vapor deposition methodology. Moreover, vacuum thermal evaporation of ionic liquids (ILs) ([C C im][NTf ] and [C C im][OTF]) onto ITO, gold/palladium (AuPd) and pentacene surfaces were performed. A greater wettability behavior of ILs is observed for surfaces containing AuPd. Read More

View Article and Full-Text PDF

Fragmentation dynamics of ArHe upon electron impact ionization: Competition between ion ejection and trapping.

J Chem Phys 2020 Jun;152(23):234305

Université de Reims Champagne Ardenne, CNRS, GSMA UMR 7331, 51097 Reims, France.

The fragmentation upon electron impact ionization of ArHe is investigated by means of mixed quantum-classical dynamics simulations. The Ar dopant dynamics is described by a surface hopping method coupled with a diatomics-in-molecules model to properly take into account the multiple Ar electronic surfaces and possible transitions between them. Helium atoms are treated individually using zero-point averaged dynamics, a method based on the building of an effective He-He potential. Read More

View Article and Full-Text PDF